Hi Dan,
I have just updated the code so that it no longer needs function pointers.
I have tested it with gfortran 4.4.7 and it seems to be working, but please
let me know if you have issues.
Cheers,
Joe Kaus
On Tue, Feb 18, 2014 at 2:21 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi All,
>
> Trying to compile PMEMD with git pull from today (commit ca8672c6c89...)
> using gfortran 4.4.7 I hit the following snag:
>
> gfortran -DBINTRAJ -DEMIL -DPUBFFT -O3 -mtune=native -DCUDA -Duse_SPFP
> -I/uufs/
> chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-kepler/include-c
> pme_direct.F90
> get_nb_energy_ti.i:108.13:
> Included at pme_direct.F90:357:
>
> procedure (func), pointer, nopass :: f
> 1
> Error: Fortran 2003: Procedure components at (1) are not yet implemented in
> gfortran
>
> Seems this is the result of the recent optimizations to the nonbonded code
> calcs in which function pointers are used. I *think* function pointers have
> been in Gnu since 4.6 maybe? Are we just no longer supporting older
> compilers that dont have support for function pointers in fortran (at least
> for pmemd)?
>
> -Dan
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Tue Feb 18 2014 - 16:30:02 PST
